3-(2-methoxyethyl)-N-methyl-4-oxo-3,4-dihydroquinazoline-2-carboxamide

• ChemBase ID: 222485
• Molecular Formular: C13H15N3O3
• Molecular Mass: 261.2765
• Monoisotopic Mass: 261.11134136
• SMILES: n1(c(nc2c(c1=O)cccc2)C(=O)NC)CCOC
• Canonical SMILES: COCCn1c(nc2c(c1=O)cccc2)C(=O)NC
• InChI: InChI=1S/C13H15N3O3/c1-14-12(17)11-15-10-6-4-3-5-9(10)13(18)16(11)7-8-19-2/h3-6H,7-8H2,1-2H3,(H,14,17)
• InChIKey: UONUGZHBMJURRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methoxyethyl)-N-methyl-4-oxo-3,4-dihydroquinazoline-2-carboxamide
• IUPAC Traditional name: 3-(2-methoxyethyl)-N-methyl-4-oxoquinazoline-2-carboxamide

Database IDs

• PubChem SID: 164278395
• PubChem CID: 39378145

CALCULATED PROPERTIES

• Acid pKa: 14.307387
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.32646766
• LogD (pH = 7.4): 0.3264686
• Log P: 0.32646865
• Molar Refractivity: 71.8439 cm^3
• Polarizability: 26.13649 Å^3
• Polar Surface Area: 71.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds